Optimised PDB entry 4jv5



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 401.000 Åb: 401.000 Åc: 176.000 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.16 Å

Experimental data
ReflectionsAll: 231145Test set: 11558 (5.0%)
Resolution range29.88 Å3.16 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19700.19800.19280.1922
R-free0.24900.24850.23540.2346
σR-free 0.00230.00220.0022
Z(R-free) -4.74-1.82-1.82

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-2.978-2.549-2.675
2nd generation packing quality1-3.974-3.412-3.565
Ramachandran plot appearance1-7.032-5.386-5.243
Chi-1/Chi-2 rotamer normality1-8.996-7.704-7.201
Backbone conformation1-2.134-1.558-1.994
Bond length RMS Z-score20.5070.4560.462
Bond angle RMS Z-score20.9000.8440.854
Total number of bumps31743863907
Unsatisfied H-bond donors/acceptors3454384395
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues149
Significantly deteriorated residues45
Changes of all residuesPlot

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